Andrew G. Taube
D. E. Shaw Research(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Machine Learning in Materials Science, Protein Structure and Dynamics, Enzyme Structure and Function, Medical Imaging Techniques and Applications
Most-Cited Works
- → New perspectives on unitary coupled‐cluster theory(2006)259 cited
- → Improving upon CCSD(T): ΛCCSD(T). I. Potential energy surfaces(2008)190 cited
- → Frozen Natural Orbitals: Systematic Basis Set Truncation for Coupled-Cluster Theory(2005)153 cited
- → Frozen natural orbital coupled-cluster theory: Forces and application to decomposition of nitroethane(2008)135 cited
- → Anton 3(2021)113 cited
- → Quantum chemical benchmark databases of gold-standard dimer interaction energies(2021)106 cited
- → Improving the accuracy of Møller-Plesset perturbation theory with neural networks(2017)106 cited
- → Rethinking linearized coupled-cluster theory(2009)91 cited
- → Single‐point (constant‐time) imaging in radiofrequency Fourier transform electron paramagnetic resonance†(2002)90 cited
- → Improving upon CCSD(T): ΛCCSD(T). II. Stationary formulation and derivatives(2008)75 cited